4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

C12H16N2O — CID 58044202

IUPAC4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
SMILESCC1(C)Cc2cc3n(c2C1)CCNC3=O
InChIInChI=1S/C12H16N2O/c1-12(2)6-8-5-9-11(15)13-3-4-14(9)10(8)7-12/h5H,3-4,6-7H2,1-2H3,(H,13,15)
InChIKeyXIUNFLQSJSCQRM-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.36
Rot. Bonds

About 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one (PubChem CID 58044202) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one.

Molecular Properties

Compound Name4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
PubChem CID58044202
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
SMILESCC1(C)Cc2cc3n(c2C1)CCNC3=O
InChIInChI=1S/C12H16N2O/c1-12(2)6-8-5-9-11(15)13-3-4-14(9)10(8)7-12/h5H,3-4,6-7H2,1-2H3,(H,13,15)
InChIKeyXIUNFLQSJSCQRM-UHFFFAOYSA-N
XLogP1.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The IUPAC name of 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one (CID 58044202) is 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one.
What is the SMILES notation for 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The canonical SMILES for 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one is CC1(C)Cc2cc3n(c2C1)CCNC3=O.
What is the InChIKey of 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The InChIKey is XIUNFLQSJSCQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2)6-8-5-9-11(15)13-3-4-14(9)10(8)7-12/h5H,3-4,6-7H2,1-2H3,(H,13,15).
What are the key properties of 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one has a molecular weight of 204.27 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one is sourced from PubChem (CID 58044202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).